2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine

C12H12ClN3S — CID 114044329

IUPAC2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2nc(Cl)ncc2N)cc1C
InChIInChI=1S/C12H12ClN3S/c1-7-3-4-9(5-8(7)2)17-11-10(14)6-15-12(13)16-11/h3-6H,14H2,1-2H3
InChIKeyNITFWFJSLIKJKG-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine

2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 114044329) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
PubChem CID114044329
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2nc(Cl)ncc2N)cc1C
InChIInChI=1S/C12H12ClN3S/c1-7-3-4-9(5-8(7)2)17-11-10(14)6-15-12(13)16-11/h3-6H,14H2,1-2H3
InChIKeyNITFWFJSLIKJKG-UHFFFAOYSA-N
XLogP3.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
CID 114044360
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
5-amino-6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81438970
2-chloro-4-(3,4-dimethylphenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidine
CID 103322933
4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748723
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
5-amino-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 61357640
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine (CID 114044329) is 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine is Cc1ccc(Sc2nc(Cl)ncc2N)cc1C.
What is the InChIKey of 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is NITFWFJSLIKJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-7-3-4-9(5-8(7)2)17-11-10(14)6-15-12(13)16-11/h3-6H,14H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine?
2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 265.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 114044329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).